azepan-1-yl-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]methanone

Systemtic Name: azepan-1-yl-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]methanone Openeye Name: azepan-1-yl-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]methanone CAS Name: 1-azepanyl-[5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methoxyphenyl]methanone IUPAC Name: azepan-1-yl-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxyphenyl]methanone Traditional Name: azepan-1-yl-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]methanone Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-3-21-12-14-23(15-13-21)28(25,26)17-8-9-19(27-2)18(16-17)20(24)22-10-6-4-5-7-11-22/h8-9,16H,3-7,10-15H2,1-2H3/p+1